1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine

C164H211Cl9N60O2 — CID 161419821

IUPAC1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine
SMILESCCN1CCC(Nc2cc(C)nc(N=C(N)Nc3ccc(Cl)c(C)c3)n2)CC1.Cc1cc(N2CCN(C)CC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCOCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCCCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCOCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(Nc2ccncc2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C20H28ClN7.C19H25ClN6.4C18H24ClN7.C18H18ClN7.C18H23ClN6O.C17H21ClN6O/c1-4-28-9-7-15(8-10-28)24-18-12-14(3)23-20(26-18)27-19(22)25-16-5-6-17(21)13(2)11-16;1-12-10-15(8-9-16(12)20)24-18(21)26-19-22-13(2)11-17(25-19)23-14-6-4-3-5-7-14;1-12-10-14(4-5-15(12)19)22-17(20)24-18-21-13(2)11-16(23-18)26-8-6-25(3)7-9-26;4*1-11-9-14(3-4-15(11)19)24-17(20)26-18-22-12(2)10-16(25-18)23-13-5-7-21-8-6-13;1-11-9-14(3-4-15(11)19)23-17(20)25-18-21-12(2)10-16(24-18)22-13-5-7-26-8-6-13;1-11-9-13(3-4-14(11)18)21-16(19)23-17-20-12(2)10-15(22-17)24-5-7-25-8-6-24/h5-6,11-12,15H,4,7-10H2,1-3H3,(H4,22,23,24,25,26,27);8-11,14H,3-7H2,1-2H3,(H4,21,22,23,24,25,26);4-5,10-11H,6-9H2,1-3H3,(H3,20,21,22,23,24);3*3-4,9-10,13,21H,5-8H2,1-2H3,(H4,20,22,23,24,25,26);3-10H,1-2H3,(H4,20,21,22,23,24,25,26);3-4,9-10,13H,5-8H2,1-2H3,(H4,20,21,22,23,24,25);3-4,9-10H,5-8H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyVWOQKJZCWJQJLJ-UHFFFAOYSA-N
MW3373.99 g/mol
LogP29.70
Rot. Bonds35

About 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine

1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine (PubChem CID 161419821) has the molecular formula C164H211Cl9N60O2 and a molecular weight of 3373.99 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine
PubChem CID161419821
Molecular FormulaC164H211Cl9N60O2
Molecular Weight3373.99 g/mol
Exact Mass3367.55
IUPAC Name1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine
SMILESCCN1CCC(Nc2cc(C)nc(N=C(N)Nc3ccc(Cl)c(C)c3)n2)CC1.Cc1cc(N2CCN(C)CC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCOCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCCCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCOCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(Nc2ccncc2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C20H28ClN7.C19H25ClN6.4C18H24ClN7.C18H18ClN7.C18H23ClN6O.C17H21ClN6O/c1-4-28-9-7-15(8-10-28)24-18-12-14(3)23-20(26-18)27-19(22)25-16-5-6-17(21)13(2)11-16;1-12-10-15(8-9-16(12)20)24-18(21)26-19-22-13(2)11-17(25-19)23-14-6-4-3-5-7-14;1-12-10-14(4-5-15(12)19)22-17(20)24-18-21-13(2)11-16(23-18)26-8-6-25(3)7-9-26;4*1-11-9-14(3-4-15(11)19)24-17(20)26-18-22-12(2)10-16(25-18)23-13-5-7-21-8-6-13;1-11-9-14(3-4-15(11)19)23-17(20)25-18-21-12(2)10-16(24-18)22-13-5-7-26-8-6-13;1-11-9-13(3-4-14(11)18)21-16(19)23-17-20-12(2)10-15(22-17)24-5-7-25-8-6-24/h5-6,11-12,15H,4,7-10H2,1-3H3,(H4,22,23,24,25,26,27);8-11,14H,3-7H2,1-2H3,(H4,21,22,23,24,25,26);4-5,10-11H,6-9H2,1-3H3,(H3,20,21,22,23,24);3*3-4,9-10,13,21H,5-8H2,1-2H3,(H4,20,22,23,24,25,26);3-10H,1-2H3,(H4,20,21,22,23,24,25,26);3-4,9-10,13H,5-8H2,1-2H3,(H4,20,21,22,23,24,25);3-4,9-10H,5-8H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyVWOQKJZCWJQJLJ-UHFFFAOYSA-N
XLogP29.70
TPSA850.32 Ų
H-Bond Donors28
H-Bond Acceptors44
Rotatable Bonds35
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003373.99
LogP ≤ 529.70
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine with MolForge

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Related Compounds

1-(4-Chloro-3-pyridin-3-ylphenyl)-3-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 145955821
1-(4-Chloro-3-pyridin-4-ylphenyl)-3-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 145959468
1-(4-Chloro-3-pyridin-2-ylphenyl)-3-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 145973399
2-[[bis(2-methoxyethyl)amino]methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-[(2-methylpiperidin-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 158281434
4-N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]-5-methylpyrimidine-2,4-diamine;2-chloro-5-(trifluoromethyl)pyrimidin-4-amine;4-chloro-5-(trifluoromethyl)pyrimidin-2-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine
CID 158722759
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(4-fluoropiperidin-1-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161576224
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 160945462
N-(3-chlorophenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]pyrimidin-2-amine;2-morpholin-4-ylethanamine
CID 19689577
4-[4-(5-chloro-3-pyridinyl)-6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761691
4-[4-(5-Chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 91518518
N-(7-chloroquinolin-4-yl)-N'-[6-[2-[4-[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethyl]-2-morpholin-4-ylpyrimidin-4-yl]propane-1,3-diamine
CID 126576296
20,24-Dimethyl-15-(2-piperazin-1-ylethoxymethyl)-5,7,14,17,24,26,33-heptazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaene
CID 134238351

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine (CID 161419821) is 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine is CCN1CCC(Nc2cc(C)nc(N=C(N)Nc3ccc(Cl)c(C)c3)n2)CC1.Cc1cc(N2CCN(C)CC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCOCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCCCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCNCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCOCC2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(Nc2ccncc2)nc(N=C(N)Nc2ccc(Cl)c(C)c2)n1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine?
The InChIKey is VWOQKJZCWJQJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN7.C19H25ClN6.4C18H24ClN7.C18H18ClN7.C18H23ClN6O.C17H21ClN6O/c1-4-28-9-7-15(8-10-28)24-18-12-14(3)23-20(26-18)27-19(22)25-16-5-6-17(21)13(2)11-16;1-12-10-15(8-9-16(12)20)24-18(21)26-19-22-13(2)11-17(25-19)23-14-6-4-3-5-7-14;1-12-10-14(4-5-15(12)19)22-17(20)24-18-21-13(2)11-16(23-18)26-8-6-25(3)7-9-26;4*1-11-9-14(3-4-15(11)19)24-17(20)26-18-22-12(2)10-16(25-18)23-13-5-7-21-8-6-13;1-11-9-14(3-4-15(11)19)23-17(20)25-18-21-12(2)10-16(24-18)22-13-5-7-26-8-6-13;1-11-9-13(3-4-14(11)18)21-16(19)23-17-20-12(2)10-15(22-17)24-5-7-25-8-6-24/h5-6,11-12,15H,4,7-10H2,1-3H3,(H4,22,23,24,25,26,27);8-11,14H,3-7H2,1-2H3,(H4,21,22,23,24,25,26);4-5,10-11H,6-9H2,1-3H3,(H3,20,21,22,23,24);3*3-4,9-10,13,21H,5-8H2,1-2H3,(H4,20,22,23,24,25,26);3-10H,1-2H3,(H4,20,21,22,23,24,25,26);3-4,9-10,13H,5-8H2,1-2H3,(H4,20,21,22,23,24,25);3-4,9-10H,5-8H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine?
1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine has a molecular weight of 3373.99 g/mol, XLogP of 29.70, 35 rotatable bonds, 28 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;tris(1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine);1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]guanidine is sourced from PubChem (CID 161419821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).